N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide

C8H10N6O — CID 64546063

IUPACN-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCCc1ncn[nH]1)c1ccn[nH]1
InChIInChI=1S/C8H10N6O/c15-8(6-1-4-11-13-6)9-3-2-7-10-5-12-14-7/h1,4-5H,2-3H2,(H,9,15)(H,11,13)(H,10,12,14)
InChIKeyYHXOYOIAFDCXIB-UHFFFAOYSA-N
MW206.21 g/mol
LogP-0.50
Rot. Bonds4

About N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide

N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 64546063) has the molecular formula C8H10N6O and a molecular weight of 206.21 g/mol. Its IUPAC name is N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID64546063
Molecular FormulaC8H10N6O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC NameN-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCCc1ncn[nH]1)c1ccn[nH]1
InChIInChI=1S/C8H10N6O/c15-8(6-1-4-11-13-6)9-3-2-7-10-5-12-14-7/h1,4-5H,2-3H2,(H,9,15)(H,11,13)(H,10,12,14)
InChIKeyYHXOYOIAFDCXIB-UHFFFAOYSA-N
XLogP-0.50
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103769288
2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64545677
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64517006
4-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64523789
2-fluoro-6-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 104919903
4-cyano-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64547578
4-bromo-3-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64531614
6-bromo-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide
CID 115283343
3-hydroxy-4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64548149
1,1-dimethyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 79153968
N-(2-sulfamoylethyl)-1H-pyrazole-5-carboxamide
CID 61067022
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]prop-2-enamide
CID 64547195

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide (CID 64546063) is N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide is O=C(NCCc1ncn[nH]1)c1ccn[nH]1.
What is the InChIKey of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is YHXOYOIAFDCXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O/c15-8(6-1-4-11-13-6)9-3-2-7-10-5-12-14-7/h1,4-5H,2-3H2,(H,9,15)(H,11,13)(H,10,12,14).
What are the key properties of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide?
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 206.21 g/mol, XLogP of -0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64546063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).